Information card for entry 2240325

Structure parameters

• Chemical name: 2,2-Dichloro-1-(piperidin-1-yl)ethanone
• Formula: C7 H11 Cl2 N O
• Calculated formula: C7 H11 Cl2 N O
• SMILES: ClC(Cl)C(=O)N1CCCCC1
• Title of publication: Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)ethanone
• Authors of publication: Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o47
• a: 6.2972 ± 0.0001 Å
• b: 15.4896 ± 0.0002 Å
• c: 9.3709 ± 0.0002 Å
• α: 90°
• β: 108.92 ± 0.001°
• γ: 90°
• Cell volume: 864.66 ± 0.03 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes